TL;DR: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CAS 823827-84-5) is a chemical compound with molecular formula C19H14Cl2N2O3S and molecular weight 420.01022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide, N-[5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
| Molecular Formula | C19H14Cl2N2O3S |
| Molecular Weight | 420.01022 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.01022 Da |
| Heavy Atoms | 27 |
| Complexity | 529.0 |
| SMILES | C1C(OC2=CC=CC=C2O1)C(=O)NC3=NC=C(S3)CC4=C(C(=CC=C4)Cl)Cl |
| InChIKey | ZIIICOSLMPYCPW-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide. Following Lipinski's Rule of Five, N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is 823827-84-5.
The molecular formula of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is C19H14Cl2N2O3S.
The molecular weight of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is 420.01022 g/mol.
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